(2-methylphenyl)sulfonylurea

C8H10N2O3S — CID 20975378

IUPAC(2-methylphenyl)sulfonylurea
SMILESCc1ccccc1S(=O)(=O)NC(N)=O
InChIInChI=1S/C8H10N2O3S/c1-6-4-2-3-5-7(6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyFHTLRVQASCAGSZ-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.35
Rot. Bonds2

About (2-methylphenyl)sulfonylurea

(2-methylphenyl)sulfonylurea (PubChem CID 20975378) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is (2-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name(2-methylphenyl)sulfonylurea
PubChem CID20975378
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name(2-methylphenyl)sulfonylurea
SMILESCc1ccccc1S(=O)(=O)NC(N)=O
InChIInChI=1S/C8H10N2O3S/c1-6-4-2-3-5-7(6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyFHTLRVQASCAGSZ-UHFFFAOYSA-N
XLogP0.35
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
[2-(hydroxyamino)phenyl]sulfonylurea
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(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
CID 763152
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
CID 88610008
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 14578280
sodium N-chloro-2-methylbenzenesulfonamide
CID 23619818
2-(2-methylphenyl)sulfonylacetamide
CID 47361891
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
[2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea
CID 118046361

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)sulfonylurea?
The IUPAC name of (2-methylphenyl)sulfonylurea (CID 20975378) is (2-methylphenyl)sulfonylurea.
What is the SMILES notation for (2-methylphenyl)sulfonylurea?
The canonical SMILES for (2-methylphenyl)sulfonylurea is Cc1ccccc1S(=O)(=O)NC(N)=O.
What is the InChIKey of (2-methylphenyl)sulfonylurea?
The InChIKey is FHTLRVQASCAGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-6-4-2-3-5-7(6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11).
What are the key properties of (2-methylphenyl)sulfonylurea?
(2-methylphenyl)sulfonylurea has a molecular weight of 214.25 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)sulfonylurea is sourced from PubChem (CID 20975378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).